Geometry & MOs

Info

ID:	427651
PubChem CID:	135160983
Reduced:	BrON2C8H10 (2)
Stoich.:	ABC2D8E10 (2)
Weight, g/mol:	507.238273
ΔH_f, kcal/mol:	-61.55
Dipole, Da:	3.0
IP(EA), eV:	-9.28(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(3,5-dimethoxyphenyl)-2-N-(2-methylphenyl)-1-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]prop-2-ene-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(C1)C2=NC3=CC(=C(C=C3N2)Br)Br

DOS

IR

Vibrations